8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C9H6F3N3O — CID 141043951

IUPAC8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cncnc2n1CC(F)(F)F
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)4-15-7(16)2-1-6-3-13-5-14-8(6)15/h1-3,5H,4H2
InChIKeyIQNNSAVTOBURSL-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.35
Rot. Bonds1

About 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 141043951) has the molecular formula C9H6F3N3O and a molecular weight of 229.16 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID141043951
Molecular FormulaC9H6F3N3O
Molecular Weight229.16 g/mol
Exact Mass229.05
IUPAC Name8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cncnc2n1CC(F)(F)F
InChIInChI=1S/C9H6F3N3O/c10-9(11,12)4-15-7(16)2-1-6-3-13-5-14-8(6)15/h1-3,5H,4H2
InChIKeyIQNNSAVTOBURSL-UHFFFAOYSA-N
XLogP1.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 141043951) is 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cncnc2n1CC(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IQNNSAVTOBURSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O/c10-9(11,12)4-15-7(16)2-1-6-3-13-5-14-8(6)15/h1-3,5H,4H2.
What are the key properties of 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?
8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 229.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141043951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).